2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine

C15H32N2O2S — CID 75477666

IUPAC2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CCN(S(=O)(=O)CCC(C)(C)C)CC1
InChIInChI=1S/C15H32N2O2S/c1-15(2,3)9-13-20(18,19)17-11-7-14(8-12-17)6-10-16(4)5/h14H,6-13H2,1-5H3
InChIKeyADGGNZMEQICYMA-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.42
Rot. Bonds6

About 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine

2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine (PubChem CID 75477666) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine
PubChem CID75477666
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CCN(S(=O)(=O)CCC(C)(C)C)CC1
InChIInChI=1S/C15H32N2O2S/c1-15(2,3)9-13-20(18,19)17-11-7-14(8-12-17)6-10-16(4)5/h14H,6-13H2,1-5H3
InChIKeyADGGNZMEQICYMA-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine (CID 75477666) is 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine is CN(C)CCC1CCN(S(=O)(=O)CCC(C)(C)C)CC1.
What is the InChIKey of 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine?
The InChIKey is ADGGNZMEQICYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-15(2,3)9-13-20(18,19)17-11-7-14(8-12-17)6-10-16(4)5/h14H,6-13H2,1-5H3.
What are the key properties of 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine?
2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine has a molecular weight of 304.50 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 75477666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).